3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol

C15H21NO2 — CID 79861874

IUPAC3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC1(C)CCCC1NC1COc2cc(O)ccc21
InChIInChI=1S/C15H21NO2/c1-15(2)7-3-4-14(15)16-12-9-18-13-8-10(17)5-6-11(12)13/h5-6,8,12,14,16-17H,3-4,7,9H2,1-2H3
InChIKeyJFFLMIAKJAUWPB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.99
Rot. Bonds2

About 3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol

3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 79861874) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID79861874
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCC1(C)CCCC1NC1COc2cc(O)ccc21
InChIInChI=1S/C15H21NO2/c1-15(2)7-3-4-14(15)16-12-9-18-13-8-10(17)5-6-11(12)13/h5-6,8,12,14,16-17H,3-4,7,9H2,1-2H3
InChIKeyJFFLMIAKJAUWPB-UHFFFAOYSA-N
XLogP2.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol (CID 79861874) is 3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol is CC1(C)CCCC1NC1COc2cc(O)ccc21.
What is the InChIKey of 3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is JFFLMIAKJAUWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)7-3-4-14(15)16-12-9-18-13-8-10(17)5-6-11(12)13/h5-6,8,12,14,16-17H,3-4,7,9H2,1-2H3.
What are the key properties of 3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol?
3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 247.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 79861874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).